(Q105330726)

English

Sibiricinone B

group of stereoisomers with the chemical formula C₂₀H₂₈O₅

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Statements

instance of

group of stereoisomers

0 references

1 reference

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C1OC(O)C(=C1)CCC2=C(C(=O)C(O)C3C2(C)CCCC3(C)C)C

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isomeric SMILES

CC1=C(CCC2=CC(=O)OC2O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](O)C1=O

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found in taxon

Leonurus sibiricus

1 reference

stated in

Labdane Diterpenes From Leonurus Persicus

Identifiers

InChI

InChI=1S/C20H28O5/c1-11-13(7-6-12-10-14(21)25-18(12)24)20(4)9-5-8-19(2,3)17(20)16(23)15(11)22/h10,16-18,23-24H,5-9H2,1-4H3/t16-,17+,18?,20-/m1/s1

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InChIKey

XMFSQKSJFSGAHJ-NHJHPMQKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XMFSQKSJFSGAHJ-NHJHPMQKSA-N

1 reference

(Q105330726)

Sibiricinone B

Statements

Identifiers

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